PCIDB

KNApSAcK Metabolite C00028131

Metabolite

KNApSAcK Entry

id C00028131
Name Dauricine
CAS RN 524-17-4
Standard InChI InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 89

Link

ChEMBL

By standard InChI CHEMBL442717
By standard InChI Main Layer CHEMBL442717 CHEMBL1721004 CHEMBL1995008

KEGG

By LinkDB C09419

CTD

By CAS RN C035934

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q12809 Potassium voltage-gated channel subfamily H member 2 KCNH, Kv10-12.x (Ether-a-go-go) CHEMBL442717 CHEMBL827807 (1)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1721004 CHEMBL1738588 (1)
0 / 0

CTD interaction (5)

compound gene gene name gene description interaction interaction type form reference
pmid
C035934 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) CYP3A4 protein results in increased glutathionylation of dauricine increases glutathionylation
protein 19358519
C035934 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) [CYP3A4 protein results in increased glutathionylation of dauricine] which results in increased chemical synthesis of N-desmethyldauricine increases chemical synthesis
/ increases glutathionylation
protein 19358519
C035934 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) [CYP3A4 protein results in increased glutathionylation of dauricine] which results in increased chemical synthesis of quinone methide increases chemical synthesis
/ increases glutathionylation
protein 19358519
C035934 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) CYP3A4 protein results in increased oxidation of and results in increased activity of dauricine increases activity
/ increases oxidation
protein 19358519
C035934 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) Ketoconazole inhibits the reaction [CYP3A4 protein results in increased glutathionylation of dauricine] decreases reaction
/ increases glutathionylation
protein 19358519

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#613688 Long qt syndrome 2; lqt2 Q12809
#609620 Short qt syndrome 1; sqt1 Q12809

KEGG DISEASE (2)

KEGG disease name UniProt
H00720 Long QT syndrome Q12809 (related)
H00725 Short QT syndrome Q12809 (related)

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001145 C035934 Arrhythmias, Cardiac therapeutic
19358519
D056486 C035934 Drug-Induced Liver Injury marker/mechanism
19358519